BAS 00865628
TL;DR: BAS 00865628 (CAS 330557-74-9) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865628, A1930/0081212, 4-(2-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile, 2-(allylsulfanyl)-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 2-(allylthio)-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 330557-74-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC=C |
| InChIKey | JVQIOKSDENFBDR-UHFFFAOYSA-N |
Product Overview
BAS 00865628 (CAS 330557-74-9), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 4-(2-methoxyphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865628
Property Insights of BAS 00865628
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00865628. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865628. Following Lipinski's Rule of Five, BAS 00865628 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865628?
The CAS number of BAS 00865628 is 330557-74-9.
What is the molecular formula of BAS 00865628?
The molecular formula of BAS 00865628 is C16H16N2O2S.
What is the molecular weight of BAS 00865628?
The molecular weight of BAS 00865628 is 300.09 g/mol.
Where can I buy BAS 00865628?
You can request a quote for BAS 00865628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865628?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.